Basic information
- CAS
298-45-3- Standard SMILES
COc1ccc2c(c1O)-c1c3c(cc4c1[C@H](C2)N(C)CC4)OCO3- InChIKey
LODGIKWNLDQZBM-LBPRGKRZSA-N- Molecular formula
- C19H19NO4
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.13140809
Overview
Bulbocapnine is an aporphine alkaloid that has been isolated from Corydalis and exhibits inhibitory activity against enzymes such as tyrosine 3-monooxygenase and diamine oxidase. It has a role as an EC 1.4.3.22 (diamine oxidase) inhibitor, an EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor and a plant metabolite. It is an aporphine alkaloid, a member of phenols, an aromatic ether and an oxacycle. It is functionally related to an aporphine. It is a conjugate base of a bulbocapnine(1+).
Names & identifiers
- Preferred name
- Bulbocapnine
- IUPAC
- (12S)-17-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-18-ol
- English name
- (+)-BULBOCAPNINE
- Molecular formula
- C19H19NO4
- Molecular weight
- 325.36
Names & synonyms
Bulbocapnine298-45-3(+)-BulbocapnineBulbokaprin(S)-(+)-BulbocapnineO0TGI865QODTXSID20183940EINECS 206-061-1BULBOCAPNINE [MI]4-Hydroxy-3-methoxy-5,6-methylenedioxy-aporphinCHEBI:32115H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-12-ol, 6,7,7a,8-tetrahydro-11-methoxy-7-methyl-, (S)-
Show more names
Bulbokapnin(+)-BULBOCAPNINE DOPAMINE ANTAGONIST10-methoxy-1,2-(methylenedioxy)-6a-alpha-aporphin-11-o(7aS)-6,7,7a,8-Tetrahydro-11-methoxy-7-methyl-5H-benzo[g]-1,3-benzodioxolo[6,5,4-de]quinolin-12-ol(6aS)-5,6,6a,7-Tetrahydro-10-methoxy-6-methyl-1,2-(methylenebisoxy)-4H-dibenzo[de,g]quinolin-11-ol
6a-alpha-APORPHIN-11-OL, 10-METHOXY-1,2-(METHYLENEDIOXY)-(7aS)-11-methoxy-7-methyl-6,7,7a,8-tetrahydro-5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinolin-12-ol(7aS)-11-methoxy-7-methyl-6,7,7a,8-tetrahydro-5H-(1,3)benzodioxolo(6,5,4-de)benzo(g)quinolin-12-olRefChem:570471DTXCID60106431206-061-1d-Bulbocapnine(S)-BULBOCAPNINE
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 488
Physicochemical properties
- Melting point
- 199 · 199-200℃
- Boiling point
- 463.55 °C · 463.55°C (rough estimate)
- Density
- 1.342 · 1.342
- refractive index
- 1.5 · 1.5000 (estimate)
- pka
- 9.41 · 9.41±0.20(Predicted)
- FDA UNII
- 0 TGI865QO · O0TGI865QO
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers4 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
上海佰世凯生物科技有限公司021-20908456 · [email protected]
重庆卡兰医药有限公司[email protected]
Additional notes
DefinitionChEBI: An isoquinoline alkaloid that has been isolated from Corydalis and exhibits inhibitory activity against enzymes like tyrosine 3-monooxygenase and diamine oxidase.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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